1-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]-3-(3-methyl-4-nitro-phenoxy)propan-1-one

Systemtic Name: 1-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]-3-(3-methyl-4-nitro-phenoxy)propan-1-one Openeye Name: 1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-3-(3-methyl-4-nitro-phenoxy)propan-1-one CAS Name: 1-[4-[(4-hydroxyphenyl)-oxomethyl]-1-piperazinyl]-3-(3-methyl-4-nitrophenoxy)-1-propanone IUPAC Name: 1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-3-(3-methyl-4-nitrophenoxy)propan-1-one Traditional Name: 1-[4-(4-hydroxybenzoyl)piperazino]-3-(3-methyl-4-nitro-phenoxy)propan-1-one Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-15-14-18(6-7-19(15)24(28)29)30-13-8-20(26)22-9-11-23(12-10-22)21(27)16-2-4-17(25)5-3-16/h2-7,14,25H,8-13H2,1H3